3O4M
Crystal structure of porcine pancreatic phospholipase A2 in complex with 1,2-dihydroxybenzene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-04-02 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.542 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 69.240, 69.240, 69.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.990 - 2.500 |
R-factor | 0.18355 |
Rwork | 0.182 |
R-free | 0.22257 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.803 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | Auto (MR) |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.960 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.092 | 0.092 |
Number of reflections | 6617 | |
Completeness [%] | 95.1 | 95.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 294 | 5% MPD, 0.05M Tris Maleate, 5mM Calcium Chloride, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K |